SCHEMBL12401247

SCHEMBL12401247

Cc1ccc(F)cc1CC(=O)NC(C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 5/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEP1B Q16820 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK14 Q16539 1/20 0.36
ABL1 P00519 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX7 Q99572 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14943206 0.88 ALDH1A1 (0.38) ANO1SMN1; SMN2ALDH1A1MEP1BLMNA
SCHEMBL12467377 0.86 TDP1 (0.38) ANO1SMN1; SMN2ALDH1A1MEP1BLMNA
SCHEMBL12401227 0.81 NPC1 (0.46) ANO1SMN1; SMN2ALDH1A1HPGDTDP1
SCHEMBL12401217 0.80 P2RX7 (0.48) ALDH1A1LMNATDP1HTTKDM4E
SCHEMBL12401222 0.72 HPGD (0.47) ALDH1A1LMNAHPGDTDP1HTT
SCHEMBL12401203 0.71 MEN1 (0.54) ALDH1A1HPGDCNR2MEN1KMT2A
SCHEMBL12401150 0.69 GAA (0.37) ALDH1A1MEN1KMT2A
SCHEMBL13943174 0.69 CYP3A4 (0.43) SMN1; SMN2ALDH1A1MEP1BLMNAHPGD
SCHEMBL2448894 0.69 TSHR (0.50) SMN1; SMN2
SCHEMBL14943554 0.69 NPC1 (0.44) ANO1SMN1; SMN2ALDH1A1LMNAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575208-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-05 US disclosed
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-8372873-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-12 US disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 US disclosed
US-7985762-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-26 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-7964624-B1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-21 US disclosed
US-20100272681-A1 Inhibitors of Serine Proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-28 US disclosed
US-20070179167-A1 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED 2007-08-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 ANO1 3142/4885SMN1; SMN2 2265/4885ALDH1A1 1374/4885
US-20070179167-A1 Inhibitors of serine proteases PRSS1, PRSS3, PRSS2 ANO1 3142/4885SMN1; SMN2 2265/4885ALDH1A1 1374/4885
US-20100272681-A1 Inhibitors of Serine Proteases SERPINB1, PRSS1, SPINT2 ANO1 4451/4885SMN1; SMN2 2646/4885ALDH1A1 2219/4885
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 ANO1 3305/4885SMN1; SMN2 2156/4885ALDH1A1 1255/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.